⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL296672 | 0.82 | — | — | |
| Phosphoric Acid SCHEMBL27867496 | 0.70 | CA2 (0.36) | — | |
| Phosphoric Acid SCHEMBL9687123 | 0.70 | — | — | |
| Phosphoric Acid SCHEMBL28208441 | 0.67 | — | — | |
| SCHEMBL2215874 | 0.67 | FDPS (0.38) | — | |
| Pyrophosphoric Acid SCHEMBL11205404 | 0.67 | FDPS (0.67) | — | |
| Hydrogen Peroxide SCHEMBL28570900 | 0.64 | — | — | |
| Hydrogen Peroxide SCHEMBL11121110 | 0.64 | — | — | |
| SCHEMBL15006 | 0.63 | — | — | |
| SCHEMBL21669 | 0.63 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108586706-A | The method for preparing the modified isocyanate mixture containing carbodiimides and/or uretonimine analog derivative | 万华化学集团股份有限公司 | 2018-09-28 | — | — | CN | disclosed |